| CAS Number | 2089257-17-8 |
| Catalog Number | AG01E97V |
| Chemical Name | 5-[2-(trifluoromethyl)pyrrolidin-2-yl]-1H-1,2,3,4-tetrazole hydrochloride |
| IUPAC Name | 5-[2-(trifluoromethyl)pyrrolidin-2-yl]-2H-tetrazole;hydrochloride |
| InChI | InChI=1S/C6H8F3N5.ClH/c7-6(8,9)5(2-1-3-10-5)4-11-13-14-12-4;/h10H,1-3H2,(H,11,12,13,14);1H |
| InChI Key | YQRYGHYUHLGIRO-UHFFFAOYSA-N |
| MDL Number | MFCD30539733 |
| Molecular Formula | C6H9ClF3N5 |
| Molecular Weight | 243.6174 |
| SMILES | Cl.FC(C1(C2NN=NN=2)NCCC1)(F)F |
| Synonyms | 5-[2-(trifluoromethyl)pyrrolidin-2-yl]-1H-1,2,3,4-tetrazole hydrochloride,
AKOS034023366,
Z2768769241,
2089257-17-8,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.618g/mol |
| Monoisotopic Mass | 243.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number